Covid19Pdb1Z1L

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

    Diffraction limits & principal axes of ellipsoid fitted to diffraction cut-off surface:
    1.742         1.0000   0.0000   0.0000       a*
    1.725         0.0000   1.0000   0.0000       b*
    1.717         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.20 %   
Rotamer outliers      =   0.34 %   
C-beta deviations     =     0   
Clashscore            =   3.56   
RMS(bonds)            =   0.0042   
RMS(angles)           =   1.10   
MolProbity score      =   1.15   
Resolution            =   1.70   
R-work                =   0.2060   
R-free                =   0.2370   

Additional analysis:

Number of waters      =   272

<B> (all atoms) =   24.08 ( sd =    8.45 ) for       3023 non-hydrogen atoms
<B>   (protein) =   23.34 ( sd =    8.13 ) for       2744 non-hydrogen atoms
<B>     (water) =   31.41 ( sd =    7.98 ) for        272 non-hydrogen atoms
<B>    (others) =   25.20 ( sd =    6.13 ) for          7 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    9.35 /   53.26
B min/max   (protein non-hydrogen atoms) =    9.35 /   51.01
B min/max     (water non-hydrogen atoms) =   13.83 /   53.26
B min/max     (other non-hydrogen atoms) =   12.95 /   29.91

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.80 %   
Rotamer outliers      =   0.68 %   
C-beta deviations     =     0   
Clashscore            =   0.94   
RMS(bonds)            =   0.0127   
RMS(angles)           =   1.38   
MolProbity score      =   0.78   
Resolution            =   1.75   
R-work                =   0.1794   
R-free                =   0.2053   

Additional analysis:

Number of waters      =   371

<B> (all atoms) =   26.83 ( sd =   10.18 ) for       3122 non-hydrogen atoms
<B>   (protein) =   25.28 ( sd =    8.93 ) for       2744 non-hydrogen atoms
<B>     (water) =   38.06 ( sd =   11.46 ) for        371 non-hydrogen atoms
<B>    (others) =   27.61 ( sd =    6.26 ) for          7 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   12.84 /   81.94
B min/max   (protein non-hydrogen atoms) =   12.84 /   62.83
B min/max     (water non-hydrogen atoms) =   16.81 /   81.94
B min/max     (other non-hydrogen atoms) =   15.28 /   31.75

Refinement progression:

Results: